| SpectraBase Compound ID | 9aknwnyMbFa |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-12(2)13-8-4-5-9-14(13)17(19)15-10-6-7-11-16(15)18(20)21-3/h4-12H,1-3H3 |
| InChIKey | IGMNVLUMSMORAQ-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AC3sDDabpsM |
|---|---|
| Name | 2-(2-Isopropylbenzoyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-12(2)13-8-4-5-9-14(13)17(19)15-10-6-7-11-16(15)18(20)21-3/h4-12H,1-3H3 |
| InChIKey | IGMNVLUMSMORAQ-UHFFFAOYSA-N |
| SMILES | C(C=1C(C(=O)OC)=CC=CC1)(C=1C(C(C)C)=CC=CC1)=O |